methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate

C14H18O4 — CID 90051649

IUPACmethyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate
SMILESCOC(=O)C/C=C(/C)c1cc(OC)ccc1OC
InChIInChI=1S/C14H18O4/c1-10(5-8-14(15)18-4)12-9-11(16-2)6-7-13(12)17-3/h5-7,9H,8H2,1-4H3/b10-5-
InChIKeyVBADCMNXAPUJCW-YHYXMXQVSA-N
MW250.29 g/mol
LogP2.67
Rot. Bonds5

About methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate

methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate (PubChem CID 90051649) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate
PubChem CID90051649
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate
SMILESCOC(=O)C/C=C(/C)c1cc(OC)ccc1OC
InChIInChI=1S/C14H18O4/c1-10(5-8-14(15)18-4)12-9-11(16-2)6-7-13(12)17-3/h5-7,9H,8H2,1-4H3/b10-5-
InChIKeyVBADCMNXAPUJCW-YHYXMXQVSA-N
XLogP2.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (E)-3-(2,5-dimethoxyphenyl)but-2-enoate
CID 140902716
2-[(Z)-but-2-en-2-yl]-1,4-dimethoxybenzene
CID 10035483
2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene
CID 143859267
1-(2,5-dimethoxyphenyl)-3-methylbut-2-en-1-one
CID 14222811
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid
CID 83958691
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
2,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676570
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
(E)-1-(2,5-dimethoxyphenyl)-3-(4-methoxyanilino)but-2-en-1-one
CID 5416106

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate?
The IUPAC name of methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate (CID 90051649) is methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate.
What is the SMILES notation for methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate?
The canonical SMILES for methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate is COC(=O)C/C=C(/C)c1cc(OC)ccc1OC.
What is the InChIKey of methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate?
The InChIKey is VBADCMNXAPUJCW-YHYXMXQVSA-N. The full InChI is InChI=1S/C14H18O4/c1-10(5-8-14(15)18-4)12-9-11(16-2)6-7-13(12)17-3/h5-7,9H,8H2,1-4H3/b10-5-.
What are the key properties of methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate?
methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate has a molecular weight of 250.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate is sourced from PubChem (CID 90051649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).